SCHEMBL2958788

SCHEMBL2958788

CN(C)c1nn(C)c(=O)c2nc(Cl)n(Cc3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
BRD4 O60885 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MAPT P10636 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2956685 0.77 ADORA2B (0.50) KDM4EHTTALDH1A1SMN1; SMN2POLB
SCHEMBL555112 0.70 HPGD (0.68) HPGDHTTALDH1A1NPSR1ADORA3
SCHEMBL1945612 0.68 ADORA3 (0.63) HPGDKDM4EHTTALDH1A1NPSR1
SCHEMBL555173 0.68 HTT (0.78) HTTALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL555652 0.67 HTT (0.57) HPGDHTTALDH1A1NPSR1ADORA3
SCHEMBL16028263 0.67 HPGD (0.62) HPGDHTTALDH1A1NPSR1ADORA3
SCHEMBL556003 0.66 KDM4E (0.55) HPGDKDM4EHTTSMN1; SMN2LMNA
SCHEMBL1945157 0.66 ADORA3 (0.65) ADORA3ADORA2AADORA1
SCHEMBL555827 0.65 HTT (0.62) HPGDHTTALDH1A1NPSR1ADORA3
SCHEMBL555012 0.64 HIF1A (0.63) HPGDHTTALDH1A1NPSR1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 HPGD 2117/4885KDM4E 3658/4885HTT 3474/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 HPGD 3301/4885KDM4E 2115/4885HTT 4130/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 HPGD 3301/4885KDM4E 2115/4885HTT 4130/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.